##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=1029998.625000
##DATA TYPE=MASS SPECTRUM
##DATA CLASS=PEAK TABLE
##ORIGIN=
##OWNER=
##.IONIZATION MODE=ESI-
##SPECTROMETER/DATA SYSTEM=Orbitrap Elite/Orbitrap Elite
$$ =====================================================
$$ Start of Advanced Chemistry Development specific data
$$ =====================================================
##$ACD DATA TYPE=c
##$MS_FRAGMENTS=ACDTABLE(Fragment,Formula,Label,mzCalc,mzExp,TICCalc,TICExp,RICalc,AQI,RDBE)

$$ =====================================================
$$ End of Advanced Chemistry Development specific data
$$ =====================================================
##NPOINTS=15
##FIRSTX=159.10256958
##LASTX=479.30154419
##MAXX=10000.00000000
##MINX=7.88088894
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=11.15443420
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
159.102569580078, 11.154434 160.976516723633, 43.0731 179.070983886719, 17.624539
207.020080566406, 9.874959 271.105529785156, 898.361111 272.13671875, 32.95815
273.195526123047, 28.98055 289.087341308594, 53.638709 301.315490722656, 46.954739
391.330902099609, 31.199107 415.449279785156, 16.491026 450.138458251953, 54.752177
451.193878173828, 10000 452.359741210937, 86.141324 479.301544189453, 7.880889
##END=$$ End of the data block
